#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j40 n HIS 2 N 0.00 0.03 -3.50 6.34 1.44 -1.26 -4.85 115.22 113.43 1j40 n HIS 2 Ca 0.00 -0.77 -0.38 0.00 -2.01 0.00 0.00 57.72 54.56 1j40 n HIS 2 Cb 0.00 -1.01 -0.06 0.00 0.12 0.00 0.00 29.99 29.04 1j40 n HIS 2 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1j40 s LEU 3 N 0.00 4.41 0.51 2.39 1.02 -1.26 -5.10 118.68 120.66 1j40 s LEU 3 Ca 0.33 0.85 -0.11 0.00 0.02 0.00 0.00 54.13 55.23 1j40 s LEU 3 Cb 0.16 -2.54 -0.05 0.00 0.02 0.00 0.00 46.19 43.77 1j40 s LEU 3 CO -0.00 0.25 0.90 0.28 0.02 0.00 0.00 176.35 177.80 1j40 s THR 4 N -0.61 4.74 0.24 5.49 -1.32 -1.26 -4.81 115.64 118.11 1j40 s THR 4 Ca 0.23 0.72 -0.08 0.00 -1.21 0.00 0.00 61.69 61.34 1j40 s THR 4 Cb -0.16 -3.81 0.26 0.00 -1.51 0.00 0.00 72.50 67.28 1j40 s THR 4 CO 0.11 -0.83 1.64 1.55 -2.21 0.00 0.00 174.62 174.88 1j40 h PRO 5 N 0.45 0.11 -0.12 7.08 0.13 -1.99 0.13 132.00 137.79 1j40 h PRO 5 Ca -0.46 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1j40 h PRO 5 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1j40 h PRO 5 CO 0.62 0.07 -0.26 1.05 -0.23 0.00 0.00 178.00 179.25 1j40 h GLU 6 N 0.11 0.21 -0.20 0.86 9.09 -1.99 -1.94 114.58 120.72 1j40 h GLU 6 Ca 0.39 -0.07 -0.12 0.00 0.05 0.00 0.00 59.36 59.61 1j40 h GLU 6 Cb 0.66 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.75 1j40 h GLU 6 CO -0.62 0.46 -0.33 0.93 0.05 0.00 0.00 179.01 179.49 1j40 h GLU 7 N 0.19 0.58 -0.47 1.06 5.08 -1.55 -0.70 114.58 118.78 1j40 h GLU 7 Ca 0.03 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1j40 h GLU 7 Cb 0.57 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1j40 h GLU 7 CO 0.04 0.97 0.23 0.87 -1.00 0.00 0.00 179.01 180.12 1j40 h LYS 8 N 0.26 0.67 -0.79 2.33 1.57 -0.69 0.41 116.57 120.32 1j40 h LYS 8 Ca 0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1j40 h LYS 8 Cb 0.92 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1j40 h LYS 8 CO 0.08 0.56 0.51 1.03 -0.57 0.00 0.00 179.45 181.06 1j40 h SER 9 N 0.61 0.92 -0.23 0.86 0.87 -1.37 -1.27 113.55 113.94 1j40 h SER 9 Ca 0.16 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1j40 h SER 9 Cb 0.11 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1j40 h SER 9 CO -0.02 0.68 0.13 0.00 -0.53 0.00 0.00 176.83 177.09 1j40 h ALA 10 N 1.28 0.29 -0.23 6.23 0.00 -0.75 -0.95 119.26 125.13 1j40 h ALA 10 Ca 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1j40 h ALA 10 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1j40 h ALA 10 CO -0.06 -0.19 0.14 0.28 0.00 0.00 0.00 179.25 179.41 1j40 h VAL 11 N 0.27 1.10 -0.15 0.00 2.07 -0.64 -2.09 116.25 116.81 1j40 h VAL 11 Ca 0.08 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1j40 h VAL 11 Cb 0.04 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1j40 h VAL 11 CO -0.01 0.10 0.09 0.74 0.02 0.00 0.00 177.57 178.50 1j40 h THR 12 N 0.28 1.06 -0.29 2.57 2.02 -1.14 -0.25 112.91 117.16 1j40 h THR 12 Ca 0.08 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1j40 h THR 12 Cb 0.04 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1j40 h THR 12 CO -0.01 0.06 0.18 0.00 0.37 0.00 0.00 175.52 176.12 1j40 h ALA 13 N 1.02 0.37 -0.43 6.16 0.00 -1.09 -1.39 119.26 123.90 1j40 h ALA 13 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1j40 h ALA 13 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1j40 h ALA 13 CO -0.01 -0.18 0.02 1.25 0.00 0.00 0.00 179.25 180.33 1j40 h LEU 14 N 0.37 0.73 -1.30 0.00 6.46 -1.26 -3.05 115.31 117.26 1j40 h LEU 14 Ca 0.11 -0.29 -0.05 0.00 -0.12 0.00 0.00 57.88 57.52 1j40 h LEU 14 Cb -0.03 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 1j40 h LEU 14 CO -0.04 0.85 -0.09 -0.25 -0.62 0.00 0.00 178.44 178.29 1j40 h TRP 15 N 0.59 0.38 0.00 1.25 2.91 -0.75 0.44 115.95 120.77 1j40 h TRP 15 Ca 0.12 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.10 1j40 h TRP 15 Cb 0.46 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1j40 h TRP 15 CO 0.03 0.45 0.00 0.41 -1.03 0.00 0.00 178.44 178.31 1j40 n GLY 16 N -0.84 -0.68 0.40 2.65 0.00 -0.55 -1.66 105.19 104.51 1j40 n GLY 16 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1j40 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j40 n LYS 17 N -1.43 1.46 -2.42 1.61 5.02 0.13 -5.01 118.16 117.52 1j40 n LYS 17 Ca 0.02 -0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 54.92 1j40 n LYS 17 Cb 0.08 -1.21 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 1j40 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1j40 s VAL 18 N -1.41 4.15 -0.49 -0.18 1.01 -0.66 -4.99 120.40 117.82 1j40 s VAL 18 Ca 0.13 1.50 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 1j40 s VAL 18 Cb 0.11 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.56 1j40 s VAL 18 CO 0.26 0.02 0.86 0.21 0.00 0.00 0.00 175.10 176.45 1j40 s ASN 19 N 1.45 6.39 0.36 3.32 3.84 -1.26 -4.93 114.94 124.11 1j40 s ASN 19 Ca 0.57 -0.20 0.14 0.00 0.21 0.00 0.00 52.86 53.59 1j40 s ASN 19 Cb -0.26 -2.41 0.68 0.00 -0.55 0.00 0.00 41.25 38.70 1j40 s ASN 19 CO 0.24 -1.05 1.78 -0.37 -2.79 0.00 0.00 177.10 174.91 1j40 h VAL 20 N 6.01 1.21 -0.16 -5.21 -1.51 -1.96 -0.05 116.25 114.57 1j40 h VAL 20 Ca -0.25 -1.46 -0.01 0.00 -1.23 0.00 0.00 66.70 63.74 1j40 h VAL 20 Cb 1.08 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.04 1j40 h VAL 20 CO 1.02 0.41 0.05 0.44 -1.23 0.00 0.00 177.57 178.26 1j40 h ASP 21 N 0.00 0.22 0.13 4.19 5.19 -1.95 0.24 116.42 124.43 1j40 h ASP 21 Ca -0.00 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 1j40 h ASP 21 Cb 0.78 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1j40 h ASP 21 CO 0.05 0.35 -0.06 -0.33 -3.12 0.00 0.00 179.24 176.14 1j40 h GLU 22 N 0.08 -0.16 -0.27 3.56 5.08 -1.94 -2.49 114.58 118.44 1j40 h GLU 22 Ca 0.05 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1j40 h GLU 22 Cb 0.21 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1j40 h GLU 22 CO -0.00 0.28 -0.45 0.28 -1.00 0.00 0.00 179.01 178.11 1j40 h VAL 23 N -0.69 1.29 -0.26 3.13 2.07 -1.06 -1.04 116.25 119.69 1j40 h VAL 23 Ca -0.02 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 1j40 h VAL 23 Cb 0.52 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1j40 h VAL 23 CO 0.03 0.53 -0.05 1.23 0.02 0.00 0.00 177.57 179.32 1j40 h GLY 24 N 0.94 0.54 0.98 2.17 0.00 -1.04 0.12 103.07 106.79 1j40 h GLY 24 Ca 0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1j40 h GLY 24 CO 0.09 0.40 0.22 -1.33 0.00 0.00 0.00 176.54 175.93 1j40 h GLY 25 N 0.26 0.85 1.18 4.60 0.00 -1.40 -2.31 103.07 106.25 1j40 h GLY 25 Ca 0.07 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1j40 h GLY 25 CO 0.02 0.43 -0.05 0.83 0.00 0.00 0.00 176.54 177.77 1j40 h GLU 26 N 0.72 0.97 0.16 4.80 5.08 -1.06 -0.72 114.58 124.53 1j40 h GLU 26 Ca 0.18 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1j40 h GLU 26 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1j40 h GLU 26 CO -0.02 0.99 -0.08 0.00 -1.00 0.00 0.00 179.01 178.91 1j40 h ALA 27 N 1.04 -0.21 -0.64 3.43 0.00 -0.89 0.34 119.26 122.34 1j40 h ALA 27 Ca 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1j40 h ALA 27 Cb 0.59 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1j40 h ALA 27 CO 0.04 -0.42 0.15 1.25 0.00 0.00 0.00 179.25 180.27 1j40 h LEU 28 N -0.62 0.97 -0.28 0.00 5.85 -1.47 -1.84 115.31 117.93 1j40 h LEU 28 Ca -0.02 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.47 1j40 h LEU 28 Cb 0.46 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1j40 h LEU 28 CO 0.04 0.95 0.16 1.23 -0.34 0.00 0.00 178.44 180.48 1j40 h GLY 29 N 0.94 0.38 1.63 3.75 0.00 -1.13 -2.35 103.07 106.29 1j40 h GLY 29 Ca 0.20 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1j40 h GLY 29 CO 0.00 0.11 -0.18 3.21 0.00 0.00 0.00 176.54 179.68 1j40 h ARG 30 N 0.34 0.44 -0.53 4.80 3.08 -0.83 -1.27 114.38 120.41 1j40 h ARG 30 Ca 0.11 -0.14 0.09 0.00 0.07 0.00 0.00 59.98 60.12 1j40 h ARG 30 Cb -0.00 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 1j40 h ARG 30 CO -0.05 0.61 0.10 1.25 -1.07 0.00 0.00 179.97 180.81 1j40 h LEU 31 N 0.40 -0.01 -0.86 3.04 5.85 -0.97 0.23 115.31 122.98 1j40 h LEU 31 Ca 0.07 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1j40 h LEU 31 Cb 0.55 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1j40 h LEU 31 CO 0.04 0.02 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.72 1j40 h LEU 32 N 0.23 0.00 0.10 2.25 3.38 -0.90 -0.72 115.31 119.66 1j40 h LEU 32 Ca 0.27 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.97 1j40 h LEU 32 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1j40 h LEU 32 CO -0.36 0.36 -1.37 0.58 0.09 0.00 0.00 178.44 177.74 1j40 h VAL 33 N 0.00 1.03 0.01 1.22 2.07 -0.85 -3.27 116.25 116.47 1j40 h VAL 33 Ca -0.00 -2.38 -0.21 0.00 0.82 0.00 0.00 66.70 64.92 1j40 h VAL 33 Cb 0.92 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 1j40 h VAL 33 CO 0.05 0.68 -0.93 0.58 0.02 0.00 0.00 177.57 177.96 1j40 h VAL 34 N -0.37 1.47 -2.28 2.57 2.07 -0.58 -3.35 116.25 115.78 1j40 h VAL 34 Ca -0.30 -2.61 -0.59 0.00 0.82 0.00 0.00 66.70 64.01 1j40 h VAL 34 Cb 1.71 2.49 -0.41 0.00 -1.52 0.00 0.00 31.29 33.56 1j40 h VAL 34 CO 0.04 0.77 -0.70 -1.22 0.02 0.00 0.00 177.57 176.47 1j40 n TYR 35 N -3.67 2.66 0.34 1.57 4.01 -0.28 -4.98 117.16 116.81 1j40 n TYR 35 Ca -0.05 -4.03 0.23 0.00 -0.16 0.00 0.00 57.90 53.89 1j40 n TYR 35 Cb 0.84 -0.50 1.23 0.00 -0.31 0.00 0.00 39.34 40.60 1j40 n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1j40 h PRO 36 N 4.36 0.00 0.00 -0.72 0.13 -1.70 -0.73 132.00 133.34 1j40 h PRO 36 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1j40 h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1j40 h PRO 36 CO 0.73 0.00 -0.06 0.11 -0.23 0.00 0.00 178.00 178.55 1j40 h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.97 115.95 113.72 1j40 h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1j40 h TRP 37 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.24 1j40 h TRP 37 CO 0.00 0.06 0.00 1.79 0.09 0.00 0.00 178.44 180.38 1j40 h THR 38 N 0.00 0.00 -0.02 0.12 1.35 -1.44 -2.18 112.91 110.74 1j40 h THR 38 Ca -0.00 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1j40 h THR 38 Cb 0.30 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1j40 h THR 38 CO 0.01 0.00 0.05 1.56 -0.25 0.00 0.00 175.52 176.89 1j40 h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.55 -2.52 115.11 119.96 1j40 h GLN 39 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1j40 h GLN 39 Cb 0.22 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1j40 h GLN 39 CO 0.00 0.00 -0.02 0.07 -0.67 0.00 0.00 178.83 178.21 1j40 h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.61 -0.16 114.38 114.18 1j40 h ARG 40 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1j40 h ARG 40 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1j40 h ARG 40 CO -0.00 0.02 -0.03 1.19 0.10 0.00 0.00 179.97 181.24 1j40 n PHE 41 N -3.64 0.00 -2.17 4.08 3.72 -0.95 -4.04 117.46 114.45 1j40 n PHE 41 Ca -0.03 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1j40 n PHE 41 Cb 0.11 -0.17 0.09 0.00 -0.94 0.00 0.00 39.48 38.56 1j40 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1j40 n PHE 42 N -1.06 0.15 -0.17 1.38 3.72 -0.07 -4.86 117.46 116.54 1j40 n PHE 42 Ca 0.17 -1.00 0.17 0.00 -0.05 0.00 0.00 57.45 56.74 1j40 n PHE 42 Cb 0.23 -0.20 0.52 0.00 -0.94 0.00 0.00 39.48 39.09 1j40 n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1j40 h GLU 43 N 1.11 0.37 0.00 -1.08 4.57 -1.69 -0.87 114.58 116.99 1j40 h GLU 43 Ca -0.12 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1j40 h GLU 43 Cb 1.53 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1j40 h GLU 43 CO 0.09 0.24 0.00 -1.13 -1.18 0.00 0.00 179.01 177.03 1j40 n SER 44 N -4.47 0.00 -0.04 1.04 3.41 -1.26 -3.61 113.62 108.68 1j40 n SER 44 Ca 0.15 0.19 0.15 0.00 -0.26 0.00 0.00 58.87 59.10 1j40 n SER 44 Cb 0.58 -0.37 0.74 0.00 -0.26 0.00 0.00 64.21 64.90 1j40 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1j40 n PHE 45 N -1.37 0.00 -0.53 7.33 3.01 -0.33 -5.01 117.46 120.56 1j40 n PHE 45 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1j40 n PHE 45 Cb 0.19 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1j40 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1j40 n GLY 46 N 1.24 0.71 3.64 1.37 0.00 -1.24 -4.73 105.19 106.19 1j40 n GLY 46 Ca 0.16 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1j40 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j40 s ASP 47 N -4.00 6.95 -0.09 1.61 2.15 -1.26 -4.85 116.67 117.18 1j40 s ASP 47 Ca 0.00 1.10 0.14 0.00 0.43 0.00 0.00 52.55 54.21 1j40 s ASP 47 Cb 0.00 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.36 1j40 s ASP 47 CO 0.00 -0.82 1.13 0.18 -0.17 0.00 0.00 175.17 175.49 1j40 n LEU 48 N 6.71 1.54 0.17 -1.34 4.77 -1.26 -4.22 117.00 123.38 1j40 n LEU 48 Ca 0.11 -2.52 0.12 0.00 -0.03 0.00 0.00 56.01 53.70 1j40 n LEU 48 Cb 0.47 -0.25 0.15 0.00 -2.33 0.00 0.00 43.42 41.46 1j40 n LEU 48 CO 0.57 0.71 0.60 0.77 -1.33 0.00 0.00 177.39 178.72 1j40 h SER 49 N 0.45 0.00 -4.69 -1.43 4.64 -1.92 -3.44 113.55 107.16 1j40 h SER 49 Ca -0.05 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 61.02 1j40 h SER 49 Cb 1.29 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.24 1j40 h SER 49 CO 0.02 0.01 -0.68 0.42 -0.87 0.00 0.00 176.83 175.73 1j40 s THR 50 N -3.23 0.60 0.19 2.95 -4.23 -1.26 -5.04 115.64 105.61 1j40 s THR 50 Ca 0.06 -1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 58.50 1j40 s THR 50 Cb 0.07 -1.91 0.10 0.00 1.34 0.00 0.00 72.50 72.11 1j40 s THR 50 CO 0.69 -0.66 1.82 -0.65 -0.54 0.00 0.00 174.62 175.29 1j40 h PRO 51 N 2.85 0.68 -0.58 3.99 0.11 -1.99 -1.23 132.00 135.83 1j40 h PRO 51 Ca -0.36 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 1j40 h PRO 51 Cb 1.18 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1j40 h PRO 51 CO 0.63 0.45 0.09 -0.44 -0.21 0.00 0.00 178.00 178.52 1j40 h ASP 52 N 0.70 0.88 -0.59 -2.05 3.45 -1.99 -1.07 116.42 115.75 1j40 h ASP 52 Ca 0.24 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1j40 h ASP 52 Cb 0.05 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 1j40 h ASP 52 CO -0.11 0.89 0.29 0.00 -1.57 0.00 0.00 179.24 178.74 1j40 h ALA 53 N 1.22 0.76 0.12 3.45 0.00 -1.78 -1.73 119.26 121.30 1j40 h ALA 53 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j40 h ALA 53 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j40 h ALA 53 CO 0.01 0.31 -0.06 0.28 0.00 0.00 0.00 179.25 179.79 1j40 h VAL 54 N 0.80 0.92 0.00 0.00 2.07 -0.85 -1.26 116.25 117.92 1j40 h VAL 54 Ca 0.20 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 1j40 h VAL 54 Cb 0.10 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1j40 h VAL 54 CO -0.03 0.03 -0.42 0.24 0.02 0.00 0.00 177.57 177.41 1j40 h MET 55 N -0.22 0.00 -0.02 1.57 2.86 -1.07 -2.59 114.93 115.46 1j40 h MET 55 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1j40 h MET 55 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1j40 h MET 55 CO 0.03 0.42 -0.11 0.41 1.06 0.00 0.00 176.91 178.71 1j40 n GLY 56 N -0.28 0.26 3.66 8.32 0.00 -0.66 -4.80 105.19 111.68 1j40 n GLY 56 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1j40 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j40 s ASN 57 N -2.15 6.58 0.43 1.61 3.84 -0.48 -4.89 114.94 119.88 1j40 s ASN 57 Ca 0.29 2.43 0.09 0.00 0.21 0.00 0.00 52.86 55.88 1j40 s ASN 57 Cb 0.20 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 39.30 1j40 s ASN 57 CO 0.39 -0.97 2.08 -0.65 -2.79 0.00 0.00 177.10 175.15 1j40 h PRO 58 N 9.86 0.45 -0.15 0.43 0.11 -1.90 -1.48 132.00 139.31 1j40 h PRO 58 Ca -0.44 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 1j40 h PRO 58 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1j40 h PRO 58 CO 0.95 0.29 -0.71 0.87 -0.21 0.00 0.00 178.00 179.20 1j40 h LYS 59 N 0.46 0.66 -0.32 1.05 1.57 -1.90 0.01 116.57 118.11 1j40 h LYS 59 Ca 0.12 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1j40 h LYS 59 Cb -0.05 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1j40 h LYS 59 CO -0.03 1.13 0.20 0.28 -0.57 0.00 0.00 179.45 180.46 1j40 h VAL 60 N 0.47 1.10 -0.31 0.50 2.07 -1.76 0.23 116.25 118.55 1j40 h VAL 60 Ca -0.03 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1j40 h VAL 60 Cb 1.31 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1j40 h VAL 60 CO 0.14 0.10 0.02 0.11 0.02 0.00 0.00 177.57 177.96 1j40 h LYS 61 N 0.42 0.53 -0.68 1.57 1.57 -1.20 0.17 116.57 118.96 1j40 h LYS 61 Ca 0.12 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1j40 h LYS 61 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1j40 h LYS 61 CO -0.02 0.66 0.28 0.00 -0.57 0.00 0.00 179.45 179.80 1j40 h ALA 62 N 0.86 0.89 -0.35 3.86 0.00 -0.89 -2.45 119.26 121.17 1j40 h ALA 62 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 1j40 h ALA 62 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j40 h ALA 62 CO 0.01 0.50 -0.41 1.25 0.00 0.00 0.00 179.25 180.60 1j40 h HIS 63 N 0.97 1.06 -0.73 0.00 -0.00 -0.77 -2.45 115.15 113.22 1j40 h HIS 63 Ca 0.23 -0.32 0.05 0.00 -0.00 0.00 0.00 60.37 60.32 1j40 h HIS 63 Cb 0.19 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 1j40 h HIS 63 CO 0.01 1.14 0.48 0.78 -0.00 0.00 0.00 177.93 180.34 1j40 h GLY 64 N 0.81 1.00 1.14 5.26 0.00 -0.80 -0.32 103.07 110.17 1j40 h GLY 64 Ca 0.05 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 1j40 h GLY 64 CO 0.10 0.27 -0.25 1.70 0.00 0.00 0.00 176.54 178.36 1j40 h LYS 65 N 0.84 0.97 -0.60 4.80 3.64 -1.18 -1.88 116.57 123.16 1j40 h LYS 65 Ca 0.30 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1j40 h LYS 65 Cb 0.14 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1j40 h LYS 65 CO -0.09 1.10 0.34 -0.22 -2.27 0.00 0.00 179.45 178.31 1j40 h LYS 66 N 0.83 0.83 -0.53 1.90 3.64 -0.87 -1.57 116.57 120.80 1j40 h LYS 66 Ca 0.10 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1j40 h LYS 66 Cb 0.82 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1j40 h LYS 66 CO 0.07 0.62 0.33 0.28 -2.27 0.00 0.00 179.45 178.48 1j40 h VAL 67 N 0.81 1.10 0.00 2.00 2.07 -0.93 -1.94 116.25 119.36 1j40 h VAL 67 Ca 0.21 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1j40 h VAL 67 Cb 0.02 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1j40 h VAL 67 CO -0.04 0.12 -0.21 -0.07 0.02 0.00 0.00 177.57 177.39 1j40 h LEU 68 N 0.68 0.00 -0.60 2.57 3.38 -1.06 -1.35 115.31 118.92 1j40 h LEU 68 Ca 0.20 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1j40 h LEU 68 Cb -0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1j40 h LEU 68 CO -0.06 0.21 0.39 1.23 0.09 0.00 0.00 178.44 180.30 1j40 h GLY 69 N 0.78 0.85 1.18 0.83 0.00 -0.51 0.24 103.07 106.43 1j40 h GLY 69 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1j40 h GLY 69 CO 0.03 0.29 -0.24 0.00 0.00 0.00 0.00 176.54 176.62 1j40 h ALA 70 N 1.23 0.72 -0.32 3.60 0.00 -1.11 -1.64 119.26 121.74 1j40 h ALA 70 Ca 0.23 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1j40 h ALA 70 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1j40 h ALA 70 CO -0.06 0.67 0.16 0.35 0.00 0.00 0.00 179.25 180.37 1j40 h PHE 71 N 0.80 0.30 -0.62 0.00 3.57 -0.93 -1.03 116.94 119.03 1j40 h PHE 71 Ca 0.10 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.69 1j40 h PHE 71 Cb 0.81 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.40 1j40 h PHE 71 CO 0.05 0.17 0.29 0.77 -2.23 0.00 0.00 178.31 177.36 1j40 h SER 72 N 0.34 0.37 -0.58 0.41 0.02 -0.33 -1.27 113.55 112.51 1j40 h SER 72 Ca 0.13 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 1j40 h SER 72 Cb 0.04 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 1j40 h SER 72 CO -0.09 0.23 0.20 0.44 -1.14 0.00 0.00 176.83 176.48 1j40 h ASP 73 N 0.52 0.18 -0.92 3.07 5.19 -0.96 -2.29 116.42 121.22 1j40 h ASP 73 Ca 0.29 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.83 1j40 h ASP 73 Cb 0.28 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.80 1j40 h ASP 73 CO -0.24 0.11 0.60 1.23 -3.12 0.00 0.00 179.24 177.83 1j40 h GLY 74 N 0.37 1.34 2.00 2.75 0.00 -0.09 -2.17 103.07 107.28 1j40 h GLY 74 Ca 0.29 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1j40 h GLY 74 CO -0.31 0.36 -0.09 1.41 0.00 0.00 0.00 176.54 177.91 1j40 h LEU 75 N 1.11 0.00 -0.28 3.11 3.38 -0.73 -0.05 115.31 121.85 1j40 h LEU 75 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1j40 h LEU 75 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1j40 h LEU 75 CO -0.13 0.09 -0.15 0.00 0.09 0.00 0.00 178.44 178.34 1j40 n ALA 76 N -2.32 2.84 -2.68 1.53 0.00 -0.82 -4.19 120.51 114.86 1j40 n ALA 76 Ca -0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1j40 n ALA 76 Cb 0.19 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.39 1j40 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j40 n HIS 77 N -0.91 1.41 0.28 0.00 8.25 -0.04 -4.93 115.22 119.28 1j40 n HIS 77 Ca 0.13 -2.58 0.15 0.00 -0.26 0.00 0.00 57.72 55.16 1j40 n HIS 77 Cb 0.30 -0.31 0.84 0.00 1.12 0.00 0.00 29.99 31.94 1j40 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1j40 h LEU 78 N 2.81 0.00 -0.98 2.41 -0.00 -1.70 -0.74 115.31 117.11 1j40 h LEU 78 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1j40 h LEU 78 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1j40 h LEU 78 CO 0.43 0.07 0.00 0.47 -0.00 0.00 0.00 178.44 179.41 1j40 n ASP 79 N -3.54 1.52 -2.68 -0.43 8.00 -1.26 -2.80 116.55 115.37 1j40 n ASP 79 Ca -0.02 -1.52 -0.08 0.00 0.71 0.00 0.00 54.79 53.89 1j40 n ASP 79 Cb 0.19 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.34 1j40 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1j40 n ASN 80 N 0.19 0.49 -0.20 -2.24 5.15 -0.30 -4.94 115.26 113.40 1j40 n ASN 80 Ca 0.19 -2.60 -0.05 0.00 -0.60 0.00 0.00 54.58 51.52 1j40 n ASN 80 Cb 0.36 -0.09 0.11 0.00 -0.53 0.00 0.00 39.78 39.63 1j40 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1j40 h LEU 81 N 2.67 0.95 -0.63 1.20 3.38 -1.69 -1.03 115.31 120.16 1j40 h LEU 81 Ca -0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1j40 h LEU 81 Cb 1.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1j40 h LEU 81 CO 0.32 0.91 0.25 0.11 0.09 0.00 0.00 178.44 180.11 1j40 h LYS 82 N 0.97 0.95 -0.21 1.13 1.57 -1.90 -0.83 116.57 118.24 1j40 h LYS 82 Ca 0.21 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1j40 h LYS 82 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1j40 h LYS 82 CO -0.00 0.80 -0.03 0.78 -0.57 0.00 0.00 179.45 180.43 1j40 h GLY 83 N 0.89 0.43 0.71 3.86 0.00 -1.91 -2.81 103.07 104.22 1j40 h GLY 83 Ca 0.21 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.26 1j40 h GLY 83 CO -0.02 0.31 0.50 -0.84 0.00 0.00 0.00 176.54 176.49 1j40 h THR 84 N 0.13 1.02 -0.37 4.70 2.02 -0.98 -2.95 112.91 116.48 1j40 h THR 84 Ca 0.06 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1j40 h THR 84 Cb 0.47 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1j40 h THR 84 CO 0.02 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.56 1j40 n PHE 85 N -4.66 0.48 -0.14 3.16 3.72 -0.33 -4.54 117.46 115.14 1j40 n PHE 85 Ca 0.12 -0.24 -0.03 0.00 -0.05 0.00 0.00 57.45 57.24 1j40 n PHE 85 Cb 0.18 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.77 1j40 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j40 h ALA 86 N 4.27 0.49 -0.29 4.37 0.00 -1.31 0.40 119.26 127.18 1j40 h ALA 86 Ca 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1j40 h ALA 86 Cb 0.79 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1j40 h ALA 86 CO 0.00 -0.33 0.12 1.15 0.00 0.00 0.00 179.25 180.19 1j40 h THR 87 N 0.21 1.17 -0.14 0.00 2.02 -1.83 -1.24 112.91 113.11 1j40 h THR 87 Ca 0.22 -0.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 1j40 h THR 87 Cb 0.29 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1j40 h THR 87 CO -0.30 0.18 -0.34 -0.07 0.37 0.00 0.00 175.52 175.35 1j40 h LEU 88 N 0.32 0.29 0.09 2.58 3.38 -1.73 -1.12 115.31 119.12 1j40 h LEU 88 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1j40 h LEU 88 Cb 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1j40 h LEU 88 CO -0.01 0.61 -0.04 -1.28 0.09 0.00 0.00 178.44 177.81 1j40 h SER 89 N 0.24 -0.10 -0.72 -0.43 0.87 0.12 -0.34 113.55 113.19 1j40 h SER 89 Ca 0.03 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1j40 h SER 89 Cb 0.72 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1j40 h SER 89 CO 0.05 0.04 0.48 -0.33 -0.53 0.00 0.00 176.83 176.55 1j40 h GLU 90 N -0.24 0.93 0.17 2.24 5.08 -1.06 -1.34 114.58 120.36 1j40 h GLU 90 Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1j40 h GLU 90 Cb 0.20 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1j40 h GLU 90 CO 0.02 0.62 -0.08 1.25 -1.00 0.00 0.00 179.01 179.82 1j40 h LEU 91 N 0.96 -0.19 -1.54 1.33 5.85 -0.92 0.20 115.31 121.01 1j40 h LEU 91 Ca 0.27 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1j40 h LEU 91 Cb -0.09 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1j40 h LEU 91 CO -0.06 0.05 0.06 0.45 -0.34 0.00 0.00 178.44 178.60 1j40 h HIS 92 N -0.42 0.36 0.20 1.25 3.86 -0.80 -1.36 115.15 118.24 1j40 h HIS 92 Ca -0.02 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1j40 h HIS 92 Cb 0.33 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.69 1j40 h HIS 92 CO -0.01 0.32 -0.09 0.00 0.86 0.00 0.00 177.93 179.01 1j40 h ASP 94 N -0.77 0.75 0.05 0.00 3.32 -0.59 -2.68 116.42 116.51 1j40 h ASP 94 Ca -0.03 -0.62 -0.38 0.00 0.02 0.00 0.00 57.03 56.03 1j40 h ASP 94 Cb 0.20 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1j40 h ASP 94 CO 0.04 1.42 -2.26 1.17 -1.72 0.00 0.00 179.24 177.89 1j40 n LYS 95 N -3.80 0.69 -0.01 3.56 4.81 -0.59 -4.66 118.16 118.16 1j40 n LYS 95 Ca -0.09 0.21 0.10 0.00 -0.87 0.00 0.00 58.31 57.65 1j40 n LYS 95 Cb 0.88 -1.60 -0.16 0.00 0.02 0.00 0.00 35.03 34.17 1j40 n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j40 n LEU 96 N -3.41 0.06 -3.66 3.14 4.77 -0.73 -5.00 117.00 112.17 1j40 n LEU 96 Ca -0.40 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.37 1j40 n LEU 96 Cb 1.00 0.02 0.06 0.00 -2.33 0.00 0.00 43.42 42.17 1j40 n LEU 96 CO 0.32 0.01 0.12 1.41 -1.33 0.00 0.00 177.39 177.91 1j40 n HIS 97 N -2.31 -2.38 -3.29 -1.77 8.25 -0.30 -4.95 115.22 108.46 1j40 n HIS 97 Ca -0.05 0.94 -0.40 0.00 -0.26 0.00 0.00 57.72 57.94 1j40 n HIS 97 Cb 0.59 -4.67 -0.08 0.00 1.12 0.00 0.00 29.99 26.96 1j40 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1j40 s VAL 98 N -3.40 5.08 0.03 1.59 1.01 -0.52 -5.03 120.40 119.16 1j40 s VAL 98 Ca 0.35 0.52 -0.33 0.00 0.00 0.00 0.00 61.98 62.52 1j40 s VAL 98 Cb -0.16 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1j40 s VAL 98 CO 0.77 -0.03 1.84 -0.67 0.00 0.00 0.00 175.10 177.01 1j40 n ASP 99 N 5.55 3.67 0.17 3.32 -0.08 -1.26 -4.73 116.55 123.19 1j40 n ASP 99 Ca -0.06 0.98 0.12 0.00 -1.51 0.00 0.00 54.79 54.32 1j40 n ASP 99 Cb 0.50 -1.45 0.61 0.00 2.34 0.00 0.00 41.12 43.11 1j40 n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j40 h PRO 100 N 8.73 0.00 -0.60 -0.67 0.11 -1.96 -1.45 132.00 136.16 1j40 h PRO 100 Ca -0.48 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1j40 h PRO 100 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1j40 h PRO 100 CO 0.94 0.00 0.42 1.49 -0.21 0.00 0.00 178.00 180.64 1j40 h GLU 101 N 0.00 0.11 0.00 1.05 4.57 -1.98 -0.02 114.58 118.31 1j40 h GLU 101 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1j40 h GLU 101 Cb 0.09 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1j40 h GLU 101 CO 0.00 0.07 -0.07 -0.91 -1.18 0.00 0.00 179.01 176.92 1j40 h ASN 102 N 0.11 0.00 0.05 1.04 4.21 -1.63 -2.33 115.58 117.03 1j40 h ASN 102 Ca 0.29 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.70 1j40 h ASN 102 Cb 0.99 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 1j40 h ASN 102 CO -0.03 0.07 -0.29 -0.26 -1.29 0.00 0.00 177.43 175.63 1j40 h PHE 103 N 0.00 0.42 -0.35 1.19 0.04 -1.19 -0.84 116.94 116.22 1j40 h PHE 103 Ca -0.00 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.55 1j40 h PHE 103 Cb 0.22 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1j40 h PHE 103 CO 0.00 0.63 -0.28 -0.09 -0.60 0.00 0.00 178.31 177.97 1j40 h ARG 104 N 0.33 0.80 -0.34 1.51 2.43 -1.51 -1.44 114.38 116.17 1j40 h ARG 104 Ca 0.05 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1j40 h ARG 104 Cb 0.69 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1j40 h ARG 104 CO 0.05 1.03 0.22 -0.07 -1.51 0.00 0.00 179.97 179.70 1j40 h LEU 105 N 0.59 0.39 -0.73 3.80 3.38 -1.36 -1.49 115.31 119.89 1j40 h LEU 105 Ca 0.06 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1j40 h LEU 105 Cb 0.86 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1j40 h LEU 105 CO 0.07 0.28 -0.05 0.25 0.09 0.00 0.00 178.44 179.09 1j40 h LEU 106 N 0.46 0.91 -0.66 1.67 5.85 -1.08 -0.99 115.31 121.47 1j40 h LEU 106 Ca 0.12 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1j40 h LEU 106 Cb -0.05 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1j40 h LEU 106 CO -0.03 0.99 0.43 1.23 -0.34 0.00 0.00 178.44 180.72 1j40 h GLY 107 N 0.98 0.93 1.58 3.75 0.00 -0.98 0.36 103.07 109.70 1j40 h GLY 107 Ca 0.15 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 1j40 h GLY 107 CO 0.03 0.31 -0.44 3.43 0.00 0.00 0.00 176.54 179.87 1j40 h ASN 108 N 0.86 0.49 -0.56 0.19 2.35 -0.94 -1.73 115.58 116.23 1j40 h ASN 108 Ca 0.25 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1j40 h ASN 108 Cb -0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1j40 h ASN 108 CO -0.07 0.86 0.20 0.58 -1.65 0.00 0.00 177.43 177.35 1j40 h VAL 109 N 0.37 1.23 -0.53 2.81 2.07 -0.77 -1.28 116.25 120.15 1j40 h VAL 109 Ca 0.03 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.87 1j40 h VAL 109 Cb 0.92 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1j40 h VAL 109 CO 0.08 0.28 0.22 0.25 0.02 0.00 0.00 177.57 178.42 1j40 h LEU 110 N 0.77 0.26 -0.59 2.57 5.85 -0.71 0.38 115.31 123.84 1j40 h LEU 110 Ca 0.18 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1j40 h LEU 110 Cb 0.24 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1j40 h LEU 110 CO -0.01 0.18 0.31 0.58 -0.34 0.00 0.00 178.44 179.15 1j40 h VAL 111 N 0.42 0.95 -0.83 1.05 2.07 -0.94 -0.08 116.25 118.89 1j40 h VAL 111 Ca 0.25 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1j40 h VAL 111 Cb 0.24 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1j40 h VAL 111 CO -0.23 0.11 0.51 0.00 0.02 0.00 0.00 177.57 177.98 1j40 h VAL 113 N 0.96 1.27 -0.54 0.00 2.07 -0.12 -0.06 116.25 119.83 1j40 h VAL 113 Ca 0.35 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1j40 h VAL 113 Cb 0.13 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1j40 h VAL 113 CO -0.16 0.47 0.23 -0.07 0.02 0.00 0.00 177.57 178.06 1j40 h LEU 114 N 0.85 0.74 -0.55 2.57 3.38 -0.71 -1.21 115.31 120.37 1j40 h LEU 114 Ca 0.12 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1j40 h LEU 114 Cb 0.75 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1j40 h LEU 114 CO 0.06 0.69 0.33 0.00 0.09 0.00 0.00 178.44 179.62 1j40 h ALA 115 N 1.07 0.71 -0.69 1.53 0.00 -0.93 0.31 119.26 121.26 1j40 h ALA 115 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1j40 h ALA 115 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1j40 h ALA 115 CO -0.02 0.04 0.32 1.25 0.00 0.00 0.00 179.25 180.85 1j40 h HIS 116 N 0.65 1.00 -0.01 0.00 -0.00 -0.70 0.95 115.15 117.04 1j40 h HIS 116 Ca 0.22 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.52 1j40 h HIS 116 Cb 0.03 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.14 1j40 h HIS 116 CO -0.06 0.75 -0.07 1.25 -0.00 0.00 0.00 177.93 179.80 1j40 h HIS 117 N 0.96 0.09 0.00 5.26 6.17 -1.05 -3.36 115.15 123.23 1j40 h HIS 117 Ca 0.24 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1j40 h HIS 117 Cb 0.13 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.05 1j40 h HIS 117 CO 0.01 0.73 -0.42 0.74 0.71 0.00 0.00 177.93 179.69 1j40 h PHE 118 N -0.57 0.00 0.00 5.26 0.04 -0.87 -3.49 116.94 117.31 1j40 h PHE 118 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1j40 h PHE 118 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1j40 h PHE 118 CO 0.16 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.28 1j40 n GLY 119 N 1.25 3.29 0.37 -1.45 0.00 0.32 -2.09 105.19 106.88 1j40 n GLY 119 Ca 0.03 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.05 1j40 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1j40 h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.94 0.43 116.57 120.31 1j40 h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1j40 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j40 h LYS 120 CO 0.00 0.00 -0.13 1.49 -2.27 0.00 0.00 179.45 178.54 1j40 h GLU 121 N 0.00 0.00 -3.98 1.90 4.81 -1.82 -3.27 114.58 112.22 1j40 h GLU 121 Ca 0.18 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.68 1j40 h GLU 121 Cb 0.86 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.13 1j40 h GLU 121 CO -0.00 0.13 2.36 0.34 -0.73 0.00 0.00 179.01 181.10 1j40 n PHE 122 N -3.58 3.48 -1.17 0.92 7.35 0.14 -4.93 117.46 119.67 1j40 n PHE 122 Ca -0.02 -2.91 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 1j40 n PHE 122 Cb 0.26 -2.24 0.13 0.00 0.35 0.00 0.00 39.48 37.98 1j40 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1j40 s THR 123 N 1.77 2.76 0.24 -2.13 -4.23 -1.23 -4.66 115.64 108.15 1j40 s THR 123 Ca 0.44 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1j40 s THR 123 Cb 0.09 -2.70 0.21 0.00 1.34 0.00 0.00 72.50 71.44 1j40 s THR 123 CO -0.02 -0.32 1.72 -0.65 -0.54 0.00 0.00 174.62 174.81 1j40 h PRO 124 N -1.50 0.38 -0.30 3.99 0.11 -1.93 0.18 132.00 132.93 1j40 h PRO 124 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1j40 h PRO 124 Cb 1.27 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1j40 h PRO 124 CO 0.53 0.25 -0.08 -1.35 -0.21 0.00 0.00 178.00 177.14 1j40 h PRO 125 N 0.39 0.49 -0.23 1.05 0.11 -1.99 -0.58 132.00 131.24 1j40 h PRO 125 Ca 0.39 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 1j40 h PRO 125 Cb 0.60 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1j40 h PRO 125 CO -0.41 0.58 -0.07 0.28 -0.21 0.00 0.00 178.00 178.17 1j40 h VAL 126 N 0.46 1.29 -0.50 3.15 2.07 -1.69 -2.24 116.25 118.79 1j40 h VAL 126 Ca 0.09 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.59 1j40 h VAL 126 Cb 0.43 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.66 1j40 h VAL 126 CO 0.02 0.34 0.15 -0.61 0.02 0.00 0.00 177.57 177.49 1j40 h GLN 127 N 0.19 0.30 -0.84 1.57 4.15 -0.85 -1.77 115.11 117.86 1j40 h GLN 127 Ca 0.06 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.49 1j40 h GLN 127 Cb 0.55 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 1j40 h GLN 127 CO 0.03 0.20 0.54 0.00 -1.93 0.00 0.00 178.83 177.66 1j40 h ALA 128 N 1.36 1.11 -0.37 3.38 0.00 -0.84 0.26 119.26 124.14 1j40 h ALA 128 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1j40 h ALA 128 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1j40 h ALA 128 CO -0.28 0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.55 1j40 h ALA 129 N 1.35 0.48 -0.39 0.00 0.00 -1.10 -2.08 119.26 117.52 1j40 h ALA 129 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1j40 h ALA 129 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1j40 h ALA 129 CO -0.12 -0.00 0.12 1.88 0.00 0.00 0.00 179.25 181.13 1j40 h TYR 130 N 0.48 0.55 -0.75 0.00 0.05 -0.41 -1.87 116.97 115.02 1j40 h TYR 130 Ca 0.13 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 1j40 h TYR 130 Cb 0.05 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 1j40 h TYR 130 CO -0.03 0.46 0.23 1.96 -1.05 0.00 0.00 178.16 179.74 1j40 h GLN 131 N 0.55 1.17 -0.51 4.88 1.08 -0.20 0.33 115.11 122.40 1j40 h GLN 131 Ca 0.13 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1j40 h GLN 131 Cb 0.16 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1j40 h GLN 131 CO -0.01 0.99 0.31 0.87 -0.95 0.00 0.00 178.83 180.05 1j40 h LYS 132 N 1.12 0.69 -0.06 1.46 1.57 -0.92 -1.50 116.57 118.93 1j40 h LYS 132 Ca 0.24 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1j40 h LYS 132 Cb 0.31 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1j40 h LYS 132 CO -0.01 0.50 0.03 0.28 -0.57 0.00 0.00 179.45 179.68 1j40 h VAL 133 N 0.69 1.12 -0.12 0.50 2.07 -0.93 -0.94 116.25 118.63 1j40 h VAL 133 Ca 0.18 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1j40 h VAL 133 Cb -0.02 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1j40 h VAL 133 CO -0.04 0.10 -0.39 -0.37 0.02 0.00 0.00 177.57 176.90 1j40 h VAL 134 N -0.04 1.30 -0.60 2.57 -1.51 -0.84 0.12 116.25 117.24 1j40 h VAL 134 Ca 0.02 -1.46 -0.04 0.00 -1.23 0.00 0.00 66.70 63.99 1j40 h VAL 134 Cb 0.14 1.63 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 1j40 h VAL 134 CO -0.00 0.44 0.22 0.00 -1.23 0.00 0.00 177.57 177.00 1j40 h ALA 135 N 1.38 0.78 -0.53 5.19 0.00 -1.22 -0.52 119.26 124.33 1j40 h ALA 135 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1j40 h ALA 135 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1j40 h ALA 135 CO 0.06 0.41 0.17 0.78 0.00 0.00 0.00 179.25 180.68 1j40 h GLY 136 N 0.84 0.88 0.91 0.00 0.00 -0.15 -0.90 103.07 104.65 1j40 h GLY 136 Ca 0.20 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1j40 h GLY 136 CO -0.01 0.48 0.11 -2.08 0.00 0.00 0.00 176.54 175.04 1j40 h VAL 137 N 0.73 1.18 -0.73 4.60 2.07 -0.69 -0.43 116.25 122.98 1j40 h VAL 137 Ca 0.17 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1j40 h VAL 137 Cb 0.27 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1j40 h VAL 137 CO -0.01 0.19 0.44 0.00 0.02 0.00 0.00 177.57 178.21 1j40 h ALA 138 N 0.95 0.94 -0.63 1.67 0.00 -0.96 0.10 119.26 121.33 1j40 h ALA 138 Ca 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1j40 h ALA 138 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1j40 h ALA 138 CO -0.01 0.41 0.05 -0.97 0.00 0.00 0.00 179.25 178.74 1j40 h ASN 139 N 1.00 1.05 -0.49 0.00 -0.73 -1.00 -1.77 115.58 113.65 1j40 h ASN 139 Ca 0.26 -0.28 -0.08 0.00 1.87 0.00 0.00 56.30 58.07 1j40 h ASN 139 Cb -0.02 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.27 1j40 h ASN 139 CO -0.05 1.07 -0.02 0.00 -0.37 0.00 0.00 177.43 178.06 1j40 h ALA 140 N 1.02 0.66 0.00 1.57 0.00 -0.70 -2.34 119.26 119.46 1j40 h ALA 140 Ca 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1j40 h ALA 140 Cb 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j40 h ALA 140 CO 0.02 0.49 -0.15 -0.07 0.00 0.00 0.00 179.25 179.54 1j40 h LEU 141 N 0.74 0.00 0.00 0.00 3.38 -0.59 -2.34 115.31 116.50 1j40 h LEU 141 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1j40 h LEU 141 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1j40 h LEU 141 CO 0.03 0.15 -0.22 0.00 0.09 0.00 0.00 178.44 178.48 1j40 n ALA 142 N -2.22 2.55 -0.02 1.53 0.00 -0.68 -4.38 120.51 117.29 1j40 n ALA 142 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1j40 n ALA 142 Cb 0.32 -1.36 0.13 0.00 0.00 0.00 0.00 19.45 18.55 1j40 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j40 h HIS 143 N 0.00 0.68 -0.22 0.00 6.17 -0.88 -2.43 115.15 118.48 1j40 h HIS 143 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 60.37 60.91 1j40 h HIS 143 Cb 0.71 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1j40 h HIS 143 CO 0.00 0.83 0.00 1.63 0.71 0.00 0.00 177.93 181.10 1j40 n LYS 144 N -4.08 1.67 -2.01 5.26 4.76 -1.26 -4.92 118.16 117.57 1j40 n LYS 144 Ca -0.01 -1.02 -0.36 0.00 -2.87 0.00 0.00 58.31 54.05 1j40 n LYS 144 Cb 0.46 -1.32 0.03 0.00 -1.84 0.00 0.00 35.03 32.36 1j40 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j40 s TYR 145 N -1.71 2.42 0.00 2.13 1.51 -0.92 -4.75 117.35 116.03 1j40 s TYR 145 Ca 0.27 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.85 1j40 s TYR 145 Cb 0.14 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.54 1j40 s TYR 145 CO 0.20 -2.13 0.00 -2.39 -1.11 0.00 0.00 175.55 170.12